2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide

C10H16ClNO2 — CID 130952253

IUPAC2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide
SMILESC=C(Cl)C(=O)NC1CC(OC)C1(C)C
InChIInChI=1S/C10H16ClNO2/c1-6(11)9(13)12-7-5-8(14-4)10(7,2)3/h7-8H,1,5H2,2-4H3,(H,12,13)
InChIKeyKFWAQPUTXZQBKN-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.67
Rot. Bonds3

About 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide

2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide (PubChem CID 130952253) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide
PubChem CID130952253
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide
SMILESC=C(Cl)C(=O)NC1CC(OC)C1(C)C
InChIInChI=1S/C10H16ClNO2/c1-6(11)9(13)12-7-5-8(14-4)10(7,2)3/h7-8H,1,5H2,2-4H3,(H,12,13)
InChIKeyKFWAQPUTXZQBKN-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2-oxoacetic acid
CID 104768155
4-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114118830
N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-ynamide
CID 130677750
(2R)-2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)propanamide
CID 103797993
N-(3-methoxy-2,2-dimethylcyclobutyl)pyrrolidine-1-carboxamide
CID 103743813
4-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide
CID 103798000
1-cyclohexyl-3-(3-methoxy-2,2-dimethylcyclobutyl)urea
CID 103742031
1-ethyl-3-(3-methoxy-2,2-dimethylcyclobutyl)-1-methylurea
CID 103743870
N-(3-methoxy-2,2-dimethylcyclobutyl)benzamide
CID 113252924
3-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)butanamide;hydrochloride
CID 119817878
3-methoxy-N,2,2-trimethylcyclobutan-1-amine
CID 66357766
2-amino-N-(3-methoxy-2,2-dimethylcyclobutyl)cyclopentane-1-carboxamide
CID 113267245

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide?
The IUPAC name of 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide (CID 130952253) is 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide.
What is the SMILES notation for 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide?
The canonical SMILES for 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide is C=C(Cl)C(=O)NC1CC(OC)C1(C)C.
What is the InChIKey of 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide?
The InChIKey is KFWAQPUTXZQBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-6(11)9(13)12-7-5-8(14-4)10(7,2)3/h7-8H,1,5H2,2-4H3,(H,12,13).
What are the key properties of 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide?
2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide has a molecular weight of 217.70 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxy-2,2-dimethylcyclobutyl)prop-2-enamide is sourced from PubChem (CID 130952253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).